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N-(3-chlorophenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide

View entire compound with spectra: 2 NMR

N-(3-chlorophenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide
SpectraBase Compound ID B2kx51nuMUM
InChI InChI=1S/C17H17ClFN3S/c18-13-2-1-3-15(12-13)20-17(23)22-10-8-21(9-11-22)16-6-4-14(19)5-7-16/h1-7,12H,8-11H2,(H,20,23)
InChIKey FQZMRHQENPHHRQ-UHFFFAOYSA-N
Mol Weight 349.86 g/mol
Molecular Formula C17H17ClFN3S
Exact Mass 349.081575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GsXR1fS7DGB
Name N-(3-Chlorophenyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide
Comments Computed using HOSE algorithm
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Exact Mass 349.081574596 u
Formula C17H17ClFN3S
InChI InChI=1S/C17H17ClFN3S/c18-13-2-1-3-15(12-13)20-17(23)22-10-8-21(9-11-22)16-6-4-14(19)5-7-16/h1-7,12H,8-11H2,(H,20,23)
InChIKey FQZMRHQENPHHRQ-UHFFFAOYSA-N
Molecular Weight 349.855 g/mol
SMILES N(C(N1CCN(CC1)C1=CC=C(C=C1)F)=S)C1=CC(Cl)=CC=C1